8-hydrazinyl-3-methyl-7-prop-2-enyl-4,5-dihydropurine-2,6-dione

C9H14N6O2 — CID 78207353

IUPAC8-hydrazinyl-3-methyl-7-prop-2-enyl-4,5-dihydropurine-2,6-dione
SMILESC=CCN1C(NN)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C9H14N6O2/c1-3-4-15-5-6(11-8(15)13-10)14(2)9(17)12-7(5)16/h3,5-6H,1,4,10H2,2H3,(H,11,13)(H,12,16,17)
InChIKeyHXZNZKFSIUMYQT-UHFFFAOYSA-N
MW238.25 g/mol
LogP-1.82
Rot. Bonds2

About 8-hydrazinyl-3-methyl-7-prop-2-enyl-4,5-dihydropurine-2,6-dione

8-hydrazinyl-3-methyl-7-prop-2-enyl-4,5-dihydropurine-2,6-dione (PubChem CID 78207353) has the molecular formula C9H14N6O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 8-hydrazinyl-3-methyl-7-prop-2-enyl-4,5-dihydropurine-2,6-dione.

Molecular Properties

Compound Name8-hydrazinyl-3-methyl-7-prop-2-enyl-4,5-dihydropurine-2,6-dione
PubChem CID78207353
Molecular FormulaC9H14N6O2
Molecular Weight238.25 g/mol
Exact Mass238.12
IUPAC Name8-hydrazinyl-3-methyl-7-prop-2-enyl-4,5-dihydropurine-2,6-dione
SMILESC=CCN1C(NN)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C9H14N6O2/c1-3-4-15-5-6(11-8(15)13-10)14(2)9(17)12-7(5)16/h3,5-6H,1,4,10H2,2H3,(H,11,13)(H,12,16,17)
InChIKeyHXZNZKFSIUMYQT-UHFFFAOYSA-N
XLogP-1.82
TPSA103.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-1.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,7-Dimethyl-1-prop-2-enyl-4,5-dihydropurine-2,6-dione
CID 135044914
2-(4,7-Dimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)acetohydrazide
CID 73259043
2-[4-(3-Methyl-2,6-dioxo-7-prop-2-enyl-4,5-dihydropurin-8-yl)piperazin-1-yl]acetamide
CID 73329026
3-Methyl-8-(4-prop-2-enylpiperazin-1-yl)-7-propyl-4,5-dihydropurine-2,6-dione
CID 74691441
8-Amino-3-methyl-7-prop-2-enyl-4,5-dihydropurine-2,6-dione
CID 77115383
8-hydrazinyl-1,3-dimethyl-7-prop-2-enyl-5H-purin-7-ium-2,6-dione
CID 78172495
8-Bromo-3-methyl-7-prop-2-enyl-4,5-dihydropurine-2,6-dione
CID 78201755
3-Methyl-7-prop-2-enyl-8-pyrrolidin-1-yl-4,5-dihydropurine-2,6-dione
CID 78201881
8-Hydrazinyl-3-methyl-7-(2-methylpropyl)-4,5-dihydropurine-2,6-dione
CID 78203583
3-Methyl-8-piperazin-1-yl-7-prop-2-enyl-4,5-dihydropurine-2,6-dione
CID 78203619
8-(Dimethylamino)-3-methyl-7-prop-2-enyl-4,5-dihydropurine-2,6-dione
CID 78204406
8-(butan-2-ylamino)-1,3-dimethyl-7-prop-2-enyl-5H-purin-7-ium-2,6-dione
CID 78204419

Frequently Asked Questions

What is the IUPAC name of 8-hydrazinyl-3-methyl-7-prop-2-enyl-4,5-dihydropurine-2,6-dione?
The IUPAC name of 8-hydrazinyl-3-methyl-7-prop-2-enyl-4,5-dihydropurine-2,6-dione (CID 78207353) is 8-hydrazinyl-3-methyl-7-prop-2-enyl-4,5-dihydropurine-2,6-dione.
What is the SMILES notation for 8-hydrazinyl-3-methyl-7-prop-2-enyl-4,5-dihydropurine-2,6-dione?
The canonical SMILES for 8-hydrazinyl-3-methyl-7-prop-2-enyl-4,5-dihydropurine-2,6-dione is C=CCN1C(NN)=NC2C1C(=O)NC(=O)N2C.
What is the InChIKey of 8-hydrazinyl-3-methyl-7-prop-2-enyl-4,5-dihydropurine-2,6-dione?
The InChIKey is HXZNZKFSIUMYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O2/c1-3-4-15-5-6(11-8(15)13-10)14(2)9(17)12-7(5)16/h3,5-6H,1,4,10H2,2H3,(H,11,13)(H,12,16,17).
What are the key properties of 8-hydrazinyl-3-methyl-7-prop-2-enyl-4,5-dihydropurine-2,6-dione?
8-hydrazinyl-3-methyl-7-prop-2-enyl-4,5-dihydropurine-2,6-dione has a molecular weight of 238.25 g/mol, XLogP of -1.82, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydrazinyl-3-methyl-7-prop-2-enyl-4,5-dihydropurine-2,6-dione is sourced from PubChem (CID 78207353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).